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This paper studies numerically the Weeks-Chandler-Andersen (WCA) system, which is shown to obey hidden scale invariance with a density-scaling exponent that varies from below 5 to above 500. This unprecedented variation makes it advantageous to use the fourth-order Runge-Kutta algorithm for tracing out isomorphs. Good isomorph invariance of structure and dynamics is observed over more than three orders of magnitude temperature variation. For all state points studied, the virial potential-energy correlation coefficient and the density-scaling exponent are controlled mainly by the temperature. Based on the assumption of statistically independent pair interactions, a mean-field theory is developed that rationalizes this finding and provides an excellent fit to data at low temperatures and densities.
We present a detailed numerical simulation study of a two dimensional system of particles interacting via the Weeks-Chandler-Anderson potential, the repulsive part of the Lennard-Jones potential. With reduction of density, the system shows a two-step
Liquid-liquid phase transition (LLPT) in supercooled water has been a long-standing controversial issue. We show simulation results of real stable first-order phase transitions between high and low density liquid (HDL and LDL)-like structures in conf
An understanding of the hydrophobicity of complex heterogeneous molecular assemblies is crucial to characterize and predict interactions between biomolecules. As such, uncovering the subtleties of assembly processes hinges on an accurate classificati
A finite-temperature density functional approach to describe the properties of parahydrogen in the liquid-vapor coexistence region is presented. The first proposed functional is zero-range, where the density-gradient term is adjusted so as to reprodu
Liquids displaying strong virial-potential energy correlations conform to an approximate density scaling of their structural and dynamical observables. This scaling property does not extend to the entire phase diagram, in general. The validity of the